4A1K
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![BU of 4a1k by Molmil](/molmil-images/mine/4a1k) | Ykud L,D-transpeptidase | Descriptor: | PUTATIVE L, D-TRANSPEPTIDASE YKUD, SULFATE ION | Authors: | Blaise, M, Fuglsang Midtgaard, S, Roi Midtgaard, S, Boesen, T, Thirup, S. | Deposit date: | 2011-09-15 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of Three New Crystal Forms of the Ykud L,D-Transpeptidase from B. Subtilis. To be Published
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4EC2
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![BU of 4ec2 by Molmil](/molmil-images/mine/4ec2) | Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae, complexed with ferrous | Descriptor: | FE (II) ION, Frataxin homolog, mitochondrial | Authors: | Soderberg, C.A.G, Rajan, S, Gakh, O, Isaya, G, Al-Karadaghi, S. | Deposit date: | 2012-03-26 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | The molecular basis of iron-induced oligomerization of frataxin and the role of the ferroxidation reaction in oligomerization. J.Biol.Chem., 288, 2013
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4L8M
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![BU of 4l8m by Molmil](/molmil-images/mine/4l8m) | Human p38 MAP kinase in complex with a Dibenzoxepinone | Descriptor: | Mitogen-activated protein kinase 14, N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide, octyl beta-D-glucopyranoside | Authors: | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | Deposit date: | 2013-06-17 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Metabolically Stable Dibenzo[b,e]oxepin-11(6H)-ones as Highly Selective p38 MAP Kinase Inhibitors: Optimizing Anti-Cytokine Activity in Human Whole Blood. J.Med.Chem., 56, 2013
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4ARB
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![BU of 4arb by Molmil](/molmil-images/mine/4arb) | Mus musculus Acetylcholinesterase in complex with (S)-C5685 at 2.25 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ACETYLCHOLINESTERASE, ... | Authors: | Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A. | Deposit date: | 2012-04-23 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase. Angew.Chem.Int.Ed.Engl., 51, 2012
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3V0N
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![BU of 3v0n by Molmil](/molmil-images/mine/3v0n) | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-GalNAc derived inhibitor (3GW and 4GW) | Descriptor: | 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate), 5-(5-formylthiophen-2-yl)uridine-5'(2-(acetylamino)-2-deoxy-alpha-D-galactosyl)-diphosphate, GLYCEROL, ... | Authors: | Palcic, M.M, Jorgensen, R. | Deposit date: | 2011-12-08 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Base-modified donor analogues reveal novel dynamic features of a glycosyltransferase. J.Biol.Chem., 288, 2013
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4E7U
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![BU of 4e7u by Molmil](/molmil-images/mine/4e7u) | The structure of T3R3 bovine insulin | Descriptor: | Insulin A chain, Insulin B chain, THIOCYANATE ION, ... | Authors: | Harris, P, Frankaer, C.G, Knudsen, M.V. | Deposit date: | 2012-03-19 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy. Acta Crystallogr.,Sect.D, 68, 2012
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4A23
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![BU of 4a23 by Molmil](/molmil-images/mine/4a23) | Mus musculus Acetylcholinesterase in complex with racemic C5685 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ... | Authors: | Berg, L, Andersson, C.D, Artrursson, E, Hornberg, A, Tunemalm, A.K, Linusson, A, Ekstrom, F. | Deposit date: | 2011-09-22 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling. Plos One, 6, 2011
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4ACJ
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![BU of 4acj by Molmil](/molmil-images/mine/4acj) | Crystal structure of the TLDC domain of Oxidation resistance protein 2 from zebrafish | Descriptor: | WU:FB25H12 PROTEIN, | Authors: | Blaise, M, B Alsarraf, H.M.A, Wong, J.E.M.M, Midtgaard, S.R, Laroche, F, Schack, L, Spaink, H, Stougaard, J, Thirup, S. | Deposit date: | 2011-12-15 | Release date: | 2012-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Crystal Structure of the Tldc Domain of Oxidation Resistance Protein 2 from Zebrafish. Proteins, 80, 2012
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2GZ1
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![BU of 2gz1 by Molmil](/molmil-images/mine/2gz1) | Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with NADP | Descriptor: | Aspartate beta-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E. | Deposit date: | 2006-05-10 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria. J.Biol.Chem., 281, 2006
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3UR7
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![BU of 3ur7 by Molmil](/molmil-images/mine/3ur7) | Higher-density crystal structure of potato endo-1,3-beta-glucanase | Descriptor: | Glucan endo-1,3-beta-D-glucosidase, SODIUM ION | Authors: | Wojtkowiak, A, Witek, K, Hennig, J, Jaskolski, M. | Deposit date: | 2011-11-21 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Two high-resolution structures of potato endo-1,3-beta-glucanase reveal subdomain flexibility with implications for substrate binding Acta Crystallogr.,Sect.D, 68, 2012
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4BWE
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![BU of 4bwe by Molmil](/molmil-images/mine/4bwe) | Crystal structure of C-terminally truncated glypican-1 after controlled dehydration to 86 percent relative humidity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glypican-1 | Authors: | Awad, W, Svensson Birkedal, G, Thunnissen, M.M.G.M, Mani, K, Logan, D.T. | Deposit date: | 2013-07-01 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Improvements in the order, isotropy and electron density of glypican-1 crystals by controlled dehydration. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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4CBP
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![BU of 4cbp by Molmil](/molmil-images/mine/4cbp) | Crystal structure of neural ectodermal development factor IMP-L2. | Descriptor: | GLYCEROL, NEURAL/ECTODERMAL DEVELOPMENT FACTOR IMP-L2 | Authors: | Kulahin, N, Kristensen, O, Brzozowski, M, Schluckebier, G, Meyts, P.D. | Deposit date: | 2013-10-15 | Release date: | 2014-10-29 | Last modified: | 2019-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Analysis of Imp-L2 Function To be Published
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4GCY
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![BU of 4gcy by Molmil](/molmil-images/mine/4gcy) | Structure of Mycobacterium tuberculosis dUTPase H21W mutant | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Toth, J, Vertessy, B.G, Leveles, I, Bendes, A. | Deposit date: | 2012-07-31 | Release date: | 2013-07-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | RAMD identification of substrate binding pathways to the active site of dUTPase To be Published
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4C1U
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![BU of 4c1u by Molmil](/molmil-images/mine/4c1u) | Structure of the xylo-oligosaccharide specific solute binding protein from Bifidobacterium animalis subsp. lactis Bl-04 in complex with arabinoxylobiose | Descriptor: | PENTAETHYLENE GLYCOL, SUGAR TRANSPORTER SOLUTE-BINDING PROTEIN, alpha-L-arabinofuranose-(1-3)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Fredslund, F, Ejby, M, Vujicic-Zagar, A, Svensson, B, Slotboom, D.J, Abou Hachem, M. | Deposit date: | 2013-08-13 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Arabinoxylo-Oligosaccharide Capture by the Probiotic Bifidobacterium Animalis Subsp. Lactis Bl-04 Mol.Microbiol., 90, 2013
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3V0L
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![BU of 3v0l by Molmil](/molmil-images/mine/3v0l) | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-Gal derived inhibitor (2GW) | Descriptor: | 5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Palcic, M.M, Jorgensen, R. | Deposit date: | 2011-12-08 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase. J.Biol.Chem., 288, 2013
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4BW7
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![BU of 4bw7 by Molmil](/molmil-images/mine/4bw7) | Calmodulin in complex with strontium | Descriptor: | CALMODULIN, STRONTIUM ION | Authors: | Kursula, P. | Deposit date: | 2013-06-30 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystallographic Snapshots of Initial Steps in the Collapse of the Calmodulin Central Helix Acta Crystallogr.,Sect.D, 70, 2014
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4GEO
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![BU of 4geo by Molmil](/molmil-images/mine/4geo) | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Livnah, O, Tzarum, N. | Deposit date: | 2012-08-02 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) To be Published
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4ALX
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![BU of 4alx by Molmil](/molmil-images/mine/4alx) | Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE | Descriptor: | (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one, ACETYLCHOLINE BINDING PROTEIN, MAGNESIUM ION, ... | Authors: | Shahsavar, A, Kastrup, J.S, Nielsen, E.O, Kristensen, J.L, Gajhede, M, Balle, T. | Deposit date: | 2012-03-06 | Release date: | 2012-08-29 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Lymnaea Stagnalis Achbp Complexed with the Potent Nachr Antagonist Dh-Betab-E Suggests a Unique Mode of Antagonism Plos One, 7, 2012
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4ARA
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![BU of 4ara by Molmil](/molmil-images/mine/4ara) | Mus musculus Acetylcholinesterase in complex with (R)-C5685 at 2.5 A resolution. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ... | Authors: | Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A. | Deposit date: | 2012-04-23 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase. Angew.Chem.Int.Ed.Engl., 51, 2012
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4BT9
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4AA9
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![BU of 4aa9 by Molmil](/molmil-images/mine/4aa9) | Camel chymosin at 1.6A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHYMOSIN, GLYCEROL, ... | Authors: | Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S. | Deposit date: | 2011-11-30 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties. Acta Crystallogr.,Sect.D, 69, 2013
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4AD7
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![BU of 4ad7 by Molmil](/molmil-images/mine/4ad7) | Crystal structure of full-length N-glycosylated human glypican-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYPICAN-1 | Authors: | Svensson, G, Awad, W, Mani, K, Logan, D.T. | Deposit date: | 2011-12-22 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.945 Å) | Cite: | Crystal Structure of N-Glycosylated Human Glypican-1 Core Protein: Structure of Two Loops Evolutionarily Conserved in Vertebrate Glypican-1. J.Biol.Chem., 287, 2012
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4A6B
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![BU of 4a6b by Molmil](/molmil-images/mine/4a6b) | Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors | Descriptor: | METHYL ((S)-1-(2-([1,1'-BIPHENYL]-4-YLMETHYL)-2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN | Authors: | Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M. | Deposit date: | 2011-11-01 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors. J.Med.Chem., 55, 2012
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4A0M
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![BU of 4a0m by Molmil](/molmil-images/mine/4a0m) | CRYSTAL STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE FROM SPINACH IN COMPLEX WITH NAD | Descriptor: | BETAINE ALDEHYDE DEHYDROGENASE, CHLOROPLASTIC, GLYCEROL, ... | Authors: | Gonzalez-Segura, L, Rudino-Pinera, E, Diaz-Sanchez, A.G, Munoz-Clares, R.A. | Deposit date: | 2011-09-09 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Amino Acid Residues Critical for the Specificity for Betaine Aldehyde of the Plant Aldh10 Isoenzyme Involved in the Synthesis of Glycine Betaine. Plant Physiol., 158, 2012
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4A6R
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![BU of 4a6r by Molmil](/molmil-images/mine/4a6r) | Crystal structure of the omega transaminase from Chromobacterium violaceum in the apo form, crystallised from polyacrylic acid | Descriptor: | OMEGA TRANSAMINASE, POLYACRYLIC ACID | Authors: | Logan, D.T, Hakansson, M, Yengo, K, Svedendahl Humble, M, Engelmark Cassimjee, K, Walse, B, Abedi, V, Federsel, H.-J, Berglund, P. | Deposit date: | 2011-11-08 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.349 Å) | Cite: | Crystal Structures of the Chromobacterium Violaceum Omega-Transaminase Reveal Major Structural Rearrangements Upon Binding of Coenzyme Plp. FEBS J., 279, 2012
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